2-fluoro-4-[[2-(4-fluoro-2-methylphenyl)ethylamino]methyl]phenol

C16H17F2NO — CID 107685868

IUPAC2-fluoro-4-[[2-(4-fluoro-2-methylphenyl)ethylamino]methyl]phenol
SMILESCc1cc(F)ccc1CCNCc1ccc(O)c(F)c1
InChIInChI=1S/C16H17F2NO/c1-11-8-14(17)4-3-13(11)6-7-19-10-12-2-5-16(20)15(18)9-12/h2-5,8-9,19-20H,6-7,10H2,1H3
InChIKeyFWSIFPFXVZCYTP-UHFFFAOYSA-N
MW277.31 g/mol
LogP3.31
Rot. Bonds5

About 2-fluoro-4-[[2-(4-fluoro-2-methylphenyl)ethylamino]methyl]phenol

2-fluoro-4-[[2-(4-fluoro-2-methylphenyl)ethylamino]methyl]phenol (PubChem CID 107685868) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is 2-fluoro-4-[[2-(4-fluoro-2-methylphenyl)ethylamino]methyl]phenol.

Molecular Properties

Compound Name2-fluoro-4-[[2-(4-fluoro-2-methylphenyl)ethylamino]methyl]phenol
PubChem CID107685868
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC Name2-fluoro-4-[[2-(4-fluoro-2-methylphenyl)ethylamino]methyl]phenol
SMILESCc1cc(F)ccc1CCNCc1ccc(O)c(F)c1
InChIInChI=1S/C16H17F2NO/c1-11-8-14(17)4-3-13(11)6-7-19-10-12-2-5-16(20)15(18)9-12/h2-5,8-9,19-20H,6-7,10H2,1H3
InChIKeyFWSIFPFXVZCYTP-UHFFFAOYSA-N
XLogP3.31
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[2-(4-chlorophenyl)ethylamino]methyl]-2-fluorophenol
CID 107685294
N-[[3-(difluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)ethanamine
CID 115526630
2-chloro-6-[[2-(4-fluoro-2-methylphenyl)ethylamino]methyl]phenol
CID 115908417
2-fluoro-4-[(3-hydroxybutylamino)methyl]phenol
CID 107685808
2-fluoro-4-[(2-methylsulfonylethylamino)methyl]phenol
CID 107685628
4-[[2-(dimethylamino)propylamino]methyl]-2-fluorophenol
CID 107685688
4-[[2-(4-fluoro-2-methylphenyl)ethylamino]methyl]-1-methylpyrrole-2-carbonitrile
CID 103203416
4-[(2,3-dimethylbutylamino)methyl]-2-fluorophenol
CID 107685805
2-(4-fluoro-2-methylphenyl)ethylhydrazine
CID 105220815
N-[(4-fluoro-2-methylphenyl)methyl]-2-pyridin-4-ylethanamine
CID 62134095
2-[(3-fluoro-4-hydroxyphenyl)methylamino]-N-methylethanesulfonamide
CID 106333461
2-fluoro-4-[2-(propylamino)ethyl]phenol
CID 107693740

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[[2-(4-fluoro-2-methylphenyl)ethylamino]methyl]phenol?
The IUPAC name of 2-fluoro-4-[[2-(4-fluoro-2-methylphenyl)ethylamino]methyl]phenol (CID 107685868) is 2-fluoro-4-[[2-(4-fluoro-2-methylphenyl)ethylamino]methyl]phenol.
What is the SMILES notation for 2-fluoro-4-[[2-(4-fluoro-2-methylphenyl)ethylamino]methyl]phenol?
The canonical SMILES for 2-fluoro-4-[[2-(4-fluoro-2-methylphenyl)ethylamino]methyl]phenol is Cc1cc(F)ccc1CCNCc1ccc(O)c(F)c1.
What is the InChIKey of 2-fluoro-4-[[2-(4-fluoro-2-methylphenyl)ethylamino]methyl]phenol?
The InChIKey is FWSIFPFXVZCYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO/c1-11-8-14(17)4-3-13(11)6-7-19-10-12-2-5-16(20)15(18)9-12/h2-5,8-9,19-20H,6-7,10H2,1H3.
What are the key properties of 2-fluoro-4-[[2-(4-fluoro-2-methylphenyl)ethylamino]methyl]phenol?
2-fluoro-4-[[2-(4-fluoro-2-methylphenyl)ethylamino]methyl]phenol has a molecular weight of 277.31 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[[2-(4-fluoro-2-methylphenyl)ethylamino]methyl]phenol is sourced from PubChem (CID 107685868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).